1ZKW
Crystal structure of Arg347Ala mutant of botulinum neurotoxin E catalytic domain
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12C |
| Synchrotron site | NSLS |
| Beamline | X12C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-04-01 |
| Detector | BRANDEIS - B4 |
| Wavelength(s) | 1.1 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 88.581, 144.458, 82.706 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.350 - 2.170 |
| Rwork | 0.238 |
| R-free | 0.28000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1t3a |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.300 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.000 |
| High resolution limit [Å] | 1.930 | 1.930 |
| Rmerge | 0.090 | 0.500 |
| Number of reflections | 72275 | |
| <I/σ(I)> | 6.4 | |
| Completeness [%] | 82.4 | 59.9 |
| Redundancy | 5 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 298 | Ammonium sulfate, Lithium sulfate, Sodium citrate, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
